SCHEMBL8347405

SCHEMBL8347405

COC(=O)CCC(CCC1CCN(C(=O)CCCBr)CC1)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.49
ITGA2B P08514 9/20 0.49
ALDH1A1 P00352 1/20 0.41
C3AR1 Q16581 3/20 0.41
ITGAV P06756 2/20 0.41
NAMPT P43490 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10154221 0.93 ITGB3 (0.53) ITGB3ITGA2BALDH1A1C3AR1ITGAV
SCHEMBL8345381 0.86 ITGB3 (0.57) ITGB3ITGA2BC3AR1ITGAVNAMPT
SCHEMBL2905452 0.79 ITGB3 (0.60) ITGB3ITGA2BC3AR1ITGAVNAMPT
SCHEMBL10189890 0.79 ITGAV (0.70) ITGB3ITGA2BITGAV
SCHEMBL12892147 0.76 GPR119 (0.51) ITGB3ITGA2BALDH1A1NAMPT
SCHEMBL16299411 0.76 ITGB3 (0.49) ITGB3ITGA2BALDH1A1
SCHEMBL8343883 0.74 ITGB3 (0.45) ITGB3ITGA2BALDH1A1ITGAVNAMPT
SCHEMBL10154215 0.73 ITGB3 (0.50) ITGB3ITGA2BALDH1A1ITGAV
SCHEMBL8346693 0.73 ITGB3 (0.37) ITGB3ITGA2BALDH1A1ITGAVNAMPT
SCHEMBL2899739 0.72 ITGB3 (0.72) ITGB3ITGA2BITGAV

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539739-B1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2010-11-24 EP disclosed
WO-2004020435-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-11 WO disclosed